@MOLECULE n-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-{4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy}acetamide 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.6097 1.1465 -0.8964 C.ar 1 UNL111111111 0.2642 2 C -3.4228 0.5013 0.3218 C.ar 1 UNL111111111 -0.2457 3 C -4.0852 -0.7154 0.5487 C.ar 1 UNL111111111 -0.0929 4 C -4.8652 -1.2609 -0.4528 C.ar 1 UNL111111111 -0.0398 5 C -5.0344 -0.6388 -1.6911 C.ar 1 UNL111111111 -0.0959 6 C -4.4079 0.5735 -1.9118 C.ar 1 UNL111111111 -0.2195 7 CL -5.6485 -2.7495 -0.1688 Cl 1 UNL111111111 -0.0635 8 C -2.5803 0.9799 1.4517 C.2 1 UNL111111111 0.4741 9 O -3.0082 1.7677 2.2578 O.2 1 UNL111111111 -0.3960 10 C -1.2127 0.4109 1.5646 C.ar 1 UNL111111111 -0.1513 11 C -0.2627 1.1293 2.2927 C.ar 1 UNL111111111 -0.0855 12 C 1.0282 0.6080 2.3785 C.ar 1 UNL111111111 0.1524 13 C 1.4005 -0.5934 1.7767 C.ar 1 UNL111111111 -0.1084 14 C 0.4186 -1.3015 1.0827 C.ar 1 UNL111111111 -0.1296 15 C -0.8773 -0.8045 0.9649 C.ar 1 UNL111111111 -0.0815 16 C 0.7773 -2.6305 0.4834 C.3 1 UNL111111111 0.5583 17 F 1.9244 -2.6400 -0.1950 F 1 UNL111111111 -0.2114 18 F 0.9243 -3.5939 1.3939 F 1 UNL111111111 -0.1962 19 F -0.1054 -3.1262 -0.3836 F 1 UNL111111111 -0.2015 20 F 1.9397 1.2828 3.0608 F 1 UNL111111111 -0.1512 21 O -3.0730 2.3135 -1.3467 O.3 1 UNL111111111 -0.3401 22 C -2.5127 3.2532 -0.4526 C.3 1 UNL111111111 -0.1349 23 C -1.0186 3.0069 -0.2618 C.2 1 UNL111111111 0.5393 24 O -0.4354 3.4690 0.6937 O.2 1 UNL111111111 -0.5072 25 N -0.4162 2.2392 -1.2395 N.am 1 UNL111111111 -0.5505 26 C 0.9080 1.7379 -1.1541 C.ar 1 UNL111111111 0.1686 27 C 1.2458 0.5930 -1.9057 C.ar 1 UNL111111111 -0.0646 28 C 2.5349 0.0693 -1.7939 C.ar 1 UNL111111111 -0.1132 29 C 3.4628 0.6394 -0.9341 C.ar 1 UNL111111111 -0.3309 30 C 3.1332 1.7845 -0.2185 C.ar 1 UNL111111111 -0.0963 31 C 1.8663 2.3492 -0.3391 C.ar 1 UNL111111111 -0.2134 32 C 0.2543 -0.0806 -2.7937 C.3 1 UNL111111111 -0.4488 33 S 5.1779 0.0539 -0.6953 S.3 1 UNL111111111 1.5197 34 N 6.7412 -0.6571 -0.2812 N.3 1 UNL111111111 -0.9505 35 O 4.8992 -1.3449 -1.6380 O.3 1 UNL111111111 -0.7832 36 O 4.5884 -0.5466 0.8031 O.3 1 UNL111111111 -0.7681 37 H -3.9789 -1.2189 1.5152 H 1 UNL111111111 0.1832 38 H -5.6529 -1.0939 -2.4674 H 1 UNL111111111 0.1740 39 H -4.5232 1.1048 -2.8569 H 1 UNL111111111 0.1815 40 H -0.5264 2.0860 2.7636 H 1 UNL111111111 0.2086 41 H 2.4376 -0.9502 1.8380 H 1 UNL111111111 0.2088 42 H -1.6388 -1.3574 0.4085 H 1 UNL111111111 0.1784 43 H -2.6811 4.2142 -0.9878 H 1 UNL111111111 0.1824 44 H -3.0464 3.3017 0.5166 H 1 UNL111111111 0.1915 45 H -0.9936 1.8842 -2.0002 H 1 UNL111111111 0.3279 46 H 2.7920 -0.8020 -2.4019 H 1 UNL111111111 0.1632 47 H 3.8460 2.2590 0.4594 H 1 UNL111111111 0.1535 48 H 1.6301 3.2576 0.2171 H 1 UNL111111111 0.1883 49 H -0.0657 0.5704 -3.6194 H 1 UNL111111111 0.1527 50 H 0.6647 -0.9902 -3.2593 H 1 UNL111111111 0.1675 51 H -0.6400 -0.4012 -2.2389 H 1 UNL111111111 0.1564 52 H 6.8916 -1.6454 -0.3536 H 1 UNL111111111 0.2717 53 H 7.5387 -0.1635 -0.6249 H 1 UNL111111111 0.2744 54 H 4.2337 -1.9516 -1.2961 H 1 UNL111111111 0.3663 55 H 5.2808 -0.8549 1.4127 H 1 UNL111111111 0.3648 @BOND 1 1 2 ar 2 2 3 ar 3 2 8 1 4 3 37 1 5 4 3 ar 6 4 7 1 7 5 4 ar 8 5 38 1 9 6 1 ar 10 6 5 ar 11 6 39 1 12 8 10 1 13 9 8 2 14 10 15 ar 15 10 11 ar 16 11 12 ar 17 11 40 1 18 12 13 ar 19 12 20 1 20 13 41 1 21 14 13 ar 22 15 14 ar 23 15 42 1 24 16 14 1 25 16 17 1 26 18 16 1 27 19 16 1 28 21 1 1 29 22 21 1 30 22 23 1 31 22 43 1 32 22 44 1 33 23 25 am 34 24 23 2 35 25 26 1 36 25 45 1 37 26 27 ar 38 27 28 ar 39 27 32 1 40 28 46 1 41 29 28 ar 42 29 33 1 43 30 29 ar 44 30 47 1 45 31 26 ar 46 31 30 ar 47 31 48 1 48 32 49 1 49 32 50 1 50 32 51 1 51 33 34 1 52 33 36 1 53 34 52 1 54 34 53 1 55 35 33 1 56 35 54 1 57 36 55 1